Cas no 3447-50-5 (4-(Difluoromethylthio)toluene)
4-(Difluoromethylthio)toluene structure
Product Name:4-(Difluoromethylthio)toluene
CAS No:3447-50-5
MF:C8H8F2S
MW:174.210927963257
CID:2943411
PubChem ID:13297815
Update Time:2025-04-21
4-(Difluoromethylthio)toluene Chemical and Physical Properties
Names and Identifiers
-
- 1-(difluoromethylsulfanyl)-4-methylbenzene
- (difluoromethyl)(p-tolyl)sulfane
- MFCD16301539
- SCHEMBL2321466
- ZLOWVOYXPNBQEZ-UHFFFAOYSA-N
- 3447-50-5
- 4-(Difluoromethylthio)toluene
-
- Inchi： 1S/C8H8F2S/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3
- InChI Key： ZLOWVOYXPNBQEZ-UHFFFAOYSA-N
- SMILES： S(C(F)F)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 174.03147775g/mol
- Monoisotopic Mass: 174.03147775g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 109
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 25.3?2
4-(Difluoromethylthio)toluene Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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